2-(2-chloro-4-methylphenoxy)-1-(4-fluorophenyl)ethanone

C15H12ClFO2 — CID 62671843

IUPAC2-(2-chloro-4-methylphenoxy)-1-(4-fluorophenyl)ethanone
SMILESCc1ccc(OCC(=O)c2ccc(F)cc2)c(Cl)c1
InChIInChI=1S/C15H12ClFO2/c1-10-2-7-15(13(16)8-10)19-9-14(18)11-3-5-12(17)6-4-11/h2-8H,9H2,1H3
InChIKeyUQPWBSANSQTXEX-UHFFFAOYSA-N
MW278.71 g/mol
LogP4.05
Rot. Bonds4

About 2-(2-chloro-4-methylphenoxy)-1-(4-fluorophenyl)ethanone

2-(2-chloro-4-methylphenoxy)-1-(4-fluorophenyl)ethanone (PubChem CID 62671843) has the molecular formula C15H12ClFO2 and a molecular weight of 278.71 g/mol. Its IUPAC name is 2-(2-chloro-4-methylphenoxy)-1-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-(2-chloro-4-methylphenoxy)-1-(4-fluorophenyl)ethanone
PubChem CID62671843
Molecular FormulaC15H12ClFO2
Molecular Weight278.71 g/mol
Exact Mass278.05
IUPAC Name2-(2-chloro-4-methylphenoxy)-1-(4-fluorophenyl)ethanone
SMILESCc1ccc(OCC(=O)c2ccc(F)cc2)c(Cl)c1
InChIInChI=1S/C15H12ClFO2/c1-10-2-7-15(13(16)8-10)19-9-14(18)11-3-5-12(17)6-4-11/h2-8H,9H2,1H3
InChIKeyUQPWBSANSQTXEX-UHFFFAOYSA-N
XLogP4.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.71
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-4-methylphenoxy)-1-(4-iodophenyl)ethanone
CID 63568169
1-(4-bromophenyl)-2-(2-chloro-4-fluorophenoxy)ethanone
CID 60624463
2-(2-chloro-4-fluorophenoxy)-1-(4-ethoxyphenyl)ethanone
CID 60624554
4-(2-chloro-5-methylphenoxy)-1-(4-fluorophenyl)butan-1-one
CID 60642957
2-(2,4-dimethylphenoxy)-1-(4-methylphenyl)ethanone
CID 43411920
2-(4-fluorophenoxy)-1-(4-methylphenyl)ethanone
CID 14970240
1-(2-bromophenyl)-2-(2-chloro-4-methylphenoxy)ethanone
CID 62673255
2-(2,3-dimethylphenoxy)-1-(4-fluorophenyl)ethanone
CID 2179596
3-(2-fluoro-5-methylphenoxy)-1-(4-fluorophenyl)propan-1-one
CID 64853662
2-(5-bromo-2-fluorophenoxy)-1-(4-methylphenyl)ethanone
CID 114674097
2-(2-chloro-4-fluorophenoxy)-N-(4-methylphenyl)acetamide
CID 9402450
1-(3-fluorophenyl)-2-(2-methoxy-4-methylphenoxy)ethanone
CID 43612412

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylphenoxy)-1-(4-fluorophenyl)ethanone?
The IUPAC name of 2-(2-chloro-4-methylphenoxy)-1-(4-fluorophenyl)ethanone (CID 62671843) is 2-(2-chloro-4-methylphenoxy)-1-(4-fluorophenyl)ethanone.
What is the SMILES notation for 2-(2-chloro-4-methylphenoxy)-1-(4-fluorophenyl)ethanone?
The canonical SMILES for 2-(2-chloro-4-methylphenoxy)-1-(4-fluorophenyl)ethanone is Cc1ccc(OCC(=O)c2ccc(F)cc2)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-methylphenoxy)-1-(4-fluorophenyl)ethanone?
The InChIKey is UQPWBSANSQTXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFO2/c1-10-2-7-15(13(16)8-10)19-9-14(18)11-3-5-12(17)6-4-11/h2-8H,9H2,1H3.
What are the key properties of 2-(2-chloro-4-methylphenoxy)-1-(4-fluorophenyl)ethanone?
2-(2-chloro-4-methylphenoxy)-1-(4-fluorophenyl)ethanone has a molecular weight of 278.71 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methylphenoxy)-1-(4-fluorophenyl)ethanone is sourced from PubChem (CID 62671843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).